Geometry & MOs

Info

ID:	369182
PubChem CID:	127331484
Reduced:	NSO4C16H29 (1)
Stoich.:	ABC4D16E29 (1)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	-215.64
Dipole, Da:	7.88
IP(EA), eV:	-9.84(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]isoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)C2CCS(=O)(=O)CC2

DOS

IR

Vibrations